HRID2323805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID15681

2-Amino-5-nitrobenzophenone

C13H10N2O3

HCID24386

Thionyl chloride

Cl2OS

结构：CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

HCID100108

N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}alanine

C18H17NO4

PRODUCTS

生成物

结构：CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1

HCID68444468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e5d1f921ec6443280c9c60ba9e3111f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1](=[O:2])([O:3][CH2:4][CH:5]1[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]21)[NH:18][CH:19]([CH3:20])[C:21](=[O:22])[OH:23].[Cl:51][CH:52]([Cl:53])[Cl:54].[NH2:28][c:29]1[c:30]([C:31](=[O:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][c:40]([N+:43](=[O:44])[O-:45])[cH:41][cH:42]1.[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[S:24]([Cl:25])([Cl:26])=[O:27]>>[C:1](=[O:2])([O:3][CH2:4][CH:5]1[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]21)[NH:18][CH:19]([CH3:20])[C:21](=[O:22])[NH:28][c:29]1[c:30]([C:31](=[O:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][c:40]([N+:43](=[O:44])[O-:45])[cH:41][cH:42]1